Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)Cc3cc(C)on3)CC2)cc1 |
MW: | 392.481 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 86.96 |
cLogP: | 1.84974 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
SIM-SYN-3099a863-3
0.610
SIM-SYN-3099a863-1
0.597
AAR-POS-d2a4d1df-27
0.486
MAR-LAB-efb042c5-5
0.486
MAR-TRE-6a44bbf2-68
0.486
SIM-SYN-7db9eb24-2
0.471
MAT-POS-b5746674-55
0.437
SAD-SAT-2fd372d1-9
0.430
MAR-LAB-ff9967db-22
0.424
MAT-POS-b5746674-57
0.406
NAU-LAT-f723e322-6
0.395
RAF-SAT-b3ff87a1-1
0.390
AAR-POS-d2a4d1df-9
0.387
SAD-SAT-9a6c5cf3-2
0.378
PET-SGC-2aaf6909-1
0.364
MAT-POS-590ac91e-66
0.358
MAK-UNK-7c9d1431-17
0.354
BAP-BUY-55f8bcae-1
0.349
MAR-TRE-6a44bbf2-78
0.346
MAK-UNK-7c9d1431-13
0.346
MAK-UNK-7c9d1431-22
0.341
MAR-LAB-ff9967db-29
0.341
DRR-IMP-dff87f5e-3
0.338
AAR-POS-d2a4d1df-44
0.338
MAK-UNK-c74072e5-8
0.338
DRR-IMP-dff87f5e-9
0.338
MAK-UNK-009ebe36-3
0.337
DRR-IMP-dff87f5e-1
0.333
DRR-IMP-dff87f5e-7
0.333
MAR-TRE-6a44bbf2-58
0.333
ALE-MCD-4ac17b19-1
0.333
KAY-MCD-d0fe5261-1
0.333
SAD-SAT-b55127ae-5
0.329
SEL-UNI-c5c112eb-2
0.326
MAR-TRE-6a44bbf2-21
0.325
MAK-UNK-7c9d1431-9
0.325
MAK-UNK-6435e6c2-5
0.325
DRR-IMP-dff87f5e-6
0.321
MAR-TRE-6a44bbf2-26
0.321
MAK-UNK-7c9d1431-6
0.321
MAK-UNK-7c9d1431-8
0.321
PEI-IMP-ca0b2813-2
0.316
SAD-SAT-3a925b8b-2
0.316
MAR-TRE-fd17a9b8-74
0.315
MAT-POS-b5746674-56
0.312
JAY-UNK-11f5bdbd-1
0.312
PEI-IMP-3d837503-2
0.312
SAD-SAT-f2e2579e-5
0.311
PEI-IMP-3d837503-4
0.308
ANT-OPE-7824651a-1
0.307
MAK-UNK-4c6b313a-1
0.307
MAK-UNK-6435e6c2-11
0.307
MAK-UNK-6435e6c2-10
0.307
DAR-DIA-6a508060-14
0.305
MAR-TRE-f6f5f473-23
0.305
JAR-KUA-41bd5a3d-19
0.304
ALE-MCD-a1893bfb-1
0.303
PEI-IMP-3d837503-1
0.302
ABB-MCD-f8003a30-1
0.301
ANT-OPE-7824651a-2
0.301
MAR-TRE-6a44bbf2-32
0.301
SAD-SAT-f2e2579e-10
0.301
PEI-IMP-ca0b2813-3
0.299
SAD-SAT-2ceae68f-1
0.298
MAK-UNK-3f402c2b-5
0.294
FRA-DIA-3f9ae552-1
0.294
DAN-MCD-5c762fbe-1
0.293
MAR-TRE-6a44bbf2-18
0.293
DAN-MCD-50ec7d1f-1
0.293
BEN-DND-03406596-10
0.293
AAR-POS-d2a4d1df-23
0.293
LON-WEI-8f408cad-4
0.293
MAR-TRE-6a44bbf2-38
0.292
MAK-UNK-7c9d1431-1
0.292
DAR-DIA-37454fd7-1
0.292
DRA-CSI-7ec17797-19
0.291
BEN-DND-03406596-8
0.291
MAK-UNK-7c9d1431-11
0.291
KEN-MCD-6084b33e-1
0.291
MAR-TRE-6a44bbf2-65
0.291
TAT-ENA-80bfd3e5-43
0.291
MAK-UNK-7c9d1431-19
0.291
SAD-SAT-9a6c5cf3-5
0.290
MAT-POS-b5746674-21
0.290
MAK-UNK-c74072e5-7
0.289
PEI-IMP-ca0b2813-1
0.289
SAD-SAT-9a6c5cf3-9
0.289
JAR-KUA-41bd5a3d-11
0.287
DAR-DIA-37454fd7-3
0.286
DRR-IMP-dff87f5e-8
0.286
MAK-UNK-7c9d1431-2
0.286
MAR-TRE-6a44bbf2-36
0.286
MAK-UNK-7c9d1431-10
0.286
RIC-ARG-a8e88843-1
0.284
MAK-UNK-7c9d1431-4
0.284
TAT-ENA-80bfd3e5-25
0.284
MAK-UNK-7c9d1431-3
0.284
DRR-IMP-dff87f5e-2
0.284
IND-SYN-6c8299e8-7
0.283
AAR-POS-0daf6b7e-3
0.282